Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] k-points for bandstructure

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] k-points for bandstructure


Chronological Thread 
  • From: Marty Blaber <martin.blaber@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] k-points for bandstructure
  • Date: Sun, 15 Feb 2009 19:21:54 +1100
  • Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:sender:in-reply-to:references:date :x-google-sender-auth:message-id:subject:from:to:content-type; b=DjdZyTCmFs2WFiuILL0Qesid483gKMG5KIj3ZdyKHtXksZrKyndXzKAcdE36nQVrQa 9FoCGHvt2mkUqEMyXM8ri6agTQp0TOIhR28xE1Ir89UJNe3e3O1Y0l1szqMTiDSDuCan 8dKLi92Byypltk8UV/z8xGaETEag/jvD25p1k=

Hi Anurag,

'Solid State Physics' by Ashcroft and Mermin is very good, as is 'Introduction to Solid State Physics' by Kittel. Both should give you enough information to build a Brillouin zone and determine the high symmetry points.

In the short term, here are two websites which are quite useful:
Crystal Structures
http://cst-www.nrl.navy.mil/

For reciprocal space information including special points etc, have a look at the Bilbao Crystallographic Server (look under kvec)
http://www.cryst.ehu.es/

Cheers,

Marty



2009/2/15 Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>
Hello Everyone,

I was reading the documentation for the bandstructure maker utility for ABINIT.  The explanation is very useful.

However I would like to know of a web resource (or any other source like book, ...) to know the special k-points to chose for a bandstructure plot for any given crystal space group.

For some well known space groups it is very easy to find the "special k-points" however for something like space group 148 (R-3H) of YI3 how to choose the reciprocal space k-points and the spacing between them.

any suggestions are very much appreciated.

best regards,
Anurag





Archive powered by MHonArc 2.6.15.

Top of Page